Vitas-M small molecule compound

6-methoxy-3-nitrodibenzo[b,f]oxepine-1-carbonitrile

Catalog ID
STK734226
SMILES COc1cccc2c1Oc1cc(cc(c1C=C2)C#N)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C16H10N2O4 MW 294.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O4/c1-21-14-4-2-3-10-5-6-13-11(9-17)7-12(18(19)20)8-15(13)22-16(10)14/h2-8H,1H3
InChIKey
BNYGRMTUMYHUQQ-UHFFFAOYSA-N
Synonyms

10METHOXY2NITROBENZO(B)(1)BENZOXEPINE4CARBONITRILE
6METHOXY3NITRODIBENZO(BF)OXEPINCARBONITRILE
6methoxy3nitrodibenzo(bf)oxepine1carbonitrile
COC1=CC=CC2=C1OC3=C(C=C2)C(=CC(=C3)(N+)(=O)(O))C#N
COc1cccc2c1Oc1cc(cc(c1C=C2)C#N)(N+)(=O)(O)
InChI=1SC16H10N2O4c1211442310561311(917)712(18(19)20)815(13)2216(10)14h28H1H3
MFCD02625564
ZINC000000034458
ZINC00034458
ZINC34458

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Available files

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